HCN+

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 44140 ± 10 gas Fridh and Asbrink, 1975
Lorquet, Lorquet, et al., 1982
Eland, Field, et al., 1998
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 1 CH stretch 1194 ± 10 gas PE Eland, Field, et al., 1998
2 Bend 331 ± 10 gas PE Eland, Field, et al., 1998

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 3260 ± 30 gas Fridh and Asbrink, 1975
Wiedmann and White, 1995
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ 1 CH stretch 3106 ± 40 gas PE Fridh and Asbrink, 1975
Π 2 Bend 428 ± 30 gas PE Fridh and Asbrink, 1975
Σ+ 3 CN stretch 2098 ± 30 gas PE Fridh and Asbrink, 1975

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ 1 CH stretch 3070 ± 30 gas PE Frost, Lee, et al., 1973
1 CH stretch 3049.9 Ne IR Forney, Thompson, et al., 1992
Π 2 Bend 760 ± 30 T gas PE Frost, Lee, et al., 1973
Σ+ 3 CN stretch 1800 ± 30 gas PE Frost, Lee, et al., 1973
Fridh and Asbrink, 1975

Additional references: Jacox, 1994, page 33; Jacox, 2003, page 31; Koppel, Cederbaum, et al., 1979

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Fridh and Asbrink, 1975
Fridh, C.; Asbrink, L., Photoelectron electron impact spectrum of HCN, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 119. [all data]

Lorquet, Lorquet, et al., 1982
Lorquet, A.J.; Lorquet, J.C.; Delwiche, J.; Hubin-Franskin, M.J., Intramolecular dynamics by photoelectron spectroscopy. I. Application to N+2, HBr+, and HCN+, J. Chem. Phys., 1982, 76, 10, 4692, https://doi.org/10.1063/1.442785 . [all data]

Eland, Field, et al., 1998
Eland, J.H.D.; Field, T.; Baltzer, P.; Hirst, D.M., Photoelectron spectra, electronic structure, coincidence spectra and dissociation mechanisms of the hydrogen cyanide cation, Chem. Phys., 1998, 229, 2-3, 149, https://doi.org/10.1016/S0301-0104(98)00036-6 . [all data]

Wiedmann and White, 1995
Wiedmann, R.T.; White, M.G., Vibronic coupling in the X 2Π and A 2Σ+ states of HCN+, J. Chem. Phys., 1995, 102, 13, 5141, https://doi.org/10.1063/1.469239 . [all data]

Frost, Lee, et al., 1973
Frost, D.C.; Lee, S.T.; McDowell, C.A., The photoelectron spectrum of HCP and comments on the first photoelectron band of HCN, Chem. Phys. Lett., 1973, 23, 472. [all data]

Forney, Thompson, et al., 1992
Forney, D.; Thompson, W.E.; Jacox, M.E., The vibrational spectra of molecular ions isolated in solid neon. IX. HCN+, HNC+, and CN-, J. Chem. Phys., 1992, 97, 3, 1664, https://doi.org/10.1063/1.463963 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Koppel, Cederbaum, et al., 1979
Koppel, H.; Cederbaum, L.S.; Domcke, W.; von Niessen, W., Vibronic coupling in linear molecules and linear-to-bent transitions: HCN, Chem. Phys., 1979, 37, 3, 303, https://doi.org/10.1016/0301-0104(79)85031-4 . [all data]

Notes

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